5-methoxy-3-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]pyridazine

C9H7F3N4O2 — CID 19436785

IUPAC5-methoxy-3-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]pyridazine
SMILESCOc1cnnc(Oc2cc(C(F)(F)F)[nH]n2)c1
InChIInChI=1S/C9H7F3N4O2/c1-17-5-2-7(15-13-4-5)18-8-3-6(14-16-8)9(10,11)12/h2-4H,1H3,(H,14,16)
InChIKeyGQIZDTJTUMSNEN-UHFFFAOYSA-N
MW260.18 g/mol
LogP2.02
Rot. Bonds3

About 5-methoxy-3-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]pyridazine

5-methoxy-3-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]pyridazine (PubChem CID 19436785) has the molecular formula C9H7F3N4O2 and a molecular weight of 260.18 g/mol. Its IUPAC name is 5-methoxy-3-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]pyridazine.

Molecular Properties

Compound Name5-methoxy-3-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]pyridazine
PubChem CID19436785
Molecular FormulaC9H7F3N4O2
Molecular Weight260.18 g/mol
Exact Mass260.05
IUPAC Name5-methoxy-3-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]pyridazine
SMILESCOc1cnnc(Oc2cc(C(F)(F)F)[nH]n2)c1
InChIInChI=1S/C9H7F3N4O2/c1-17-5-2-7(15-13-4-5)18-8-3-6(14-16-8)9(10,11)12/h2-4H,1H3,(H,14,16)
InChIKeyGQIZDTJTUMSNEN-UHFFFAOYSA-N
XLogP2.02
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.18
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]pyridazine?
The IUPAC name of 5-methoxy-3-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]pyridazine (CID 19436785) is 5-methoxy-3-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]pyridazine.
What is the SMILES notation for 5-methoxy-3-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]pyridazine?
The canonical SMILES for 5-methoxy-3-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]pyridazine is COc1cnnc(Oc2cc(C(F)(F)F)[nH]n2)c1.
What is the InChIKey of 5-methoxy-3-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]pyridazine?
The InChIKey is GQIZDTJTUMSNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4O2/c1-17-5-2-7(15-13-4-5)18-8-3-6(14-16-8)9(10,11)12/h2-4H,1H3,(H,14,16).
What are the key properties of 5-methoxy-3-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]pyridazine?
5-methoxy-3-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]pyridazine has a molecular weight of 260.18 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-[[5-(trifluoromethyl)-1H-pyrazol-3-yl]oxy]pyridazine is sourced from PubChem (CID 19436785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).